ethyl 1-[4-(4-chloro-2-fluoroanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(4-chloro-2-fluoroanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[4-(4-chloro-2-fluoroanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3233 |
| Compound Name: | ethyl 1-[4-(4-chloro-2-fluoroanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C24 H24 Cl F N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(Nc2ccc(cc2F)[Cl])=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2407 |
| logD: | 5.1192 |
| logSw: | -5.4819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.101 |
| InChI Key: | DAYPHOQBPPOIJM-UHFFFAOYSA-N |